COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK061213
Chemical Name: 4-[(2-{(1E)-2-cyano-3-[(3,4-dimethylphenyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)methyl]benzoicacid
Smiles: N#C/C(=C\c1ccccc1OCc1ccc(cc1)C(=O)O)/C(=O)Nc1ccc(c(c1)C)C

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Molecular Weight: 426.47
Empirical Formula: C26H22N2O4

Physical State: Dry powder
Available Amount: 132 mg

Lipinsky:
logP: 5.642
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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